tert-Butyl 4-aminoazepane-1-carboxylate

tert-Butyl 4-aminoazepane-1-carboxylate · tert-butyl 4-aminoazepane-1-carboxylate hydrochloride · 1-Boc-4-aminoazepane · 4-Amino-1-Boc-azepane · 4-Amino-1-Boc-hexahydro-1... · 1-N-BOC-HEXAHYDRO-1H-AZEPIN-4- · 1-Boc-hexahydro-1H-azepin-4-amine · 4-Amino-1-Boc-hexahydro-1H-azepine

https://huagongshe.com/de/chemical/18946151

Molekülstruktur von tert-Butyl 4-aminoazepane-1-carboxylate

Identifikatoren & physikalische Daten

CAS No.	196613-57-7
Summenformel	C11H22N2O2
Durchschnittliche Molmasse	214,3 g/mol
Monoisotopische Masse	214,16812794 g/mol
SMILES	CC(C)(C)OC(=O)N1CCCC(N)CC1
InChIKey	YCOKHOLOSGJEGL-UHFFFAOYSA-N
PubChem CID	18946151
EC No.	820-115-7
DTXSID	DTXSID50596741

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	55,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	223
Siedepunkt	296 ºC
Dichte	1.020
Flammpunkt	133 ºC
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand	liquid
pKa (Säurekonstante)	10.41±0.20(Predicted)
Farbe	Light yellow to yellow
InChI	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3
InChIKey	YCOKHOLOSGJEGL-UHFFFAOYSA-N
SMILES	N1(C(OC(C)(C)C)=O)CCCC(N)CC1
CAS Datenbank	196613-57-7

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2933998090
Gefahrenklasse	IRRITANT